General Information of the Compound
| Compound ID |
CP0511099
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[6-Fluoro-3-(4-methanesulfinyl-benzylidene)-2-methyl-3H-inden-1-yl]-N-methoxy-acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H20FNO3S
|
||||||||||||||||||
| Molecular Weight |
385.46
|
||||||||||||||||||
| Canonical SMILES |
CONC(=O)CC1=C(C)\C(=C\c2ccc(cc2)S(C)=O)c2ccc(F)cc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H20FNO3S/c1-13-18(10-14-4-7-16(8-5-14)27(3)25)17-9-6-15(22)11-20(17)19(13)12-21(24)23-26-2/h4-11H,12H2,1-3H3,(H,23,24)/b18-10-
Show/Hide
|
||||||||||||||||||
| InChIKey |
LPKYUGWFGNHHKX-ZDLGFXPLSA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound